General Information of the Compound
| Compound ID |
CP0468132
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| Compound Name |
3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 4-tert-butyl ester 2-ethyl ester
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| Structure |
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| Formula |
C13H19NO4
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| Molecular Weight |
253.298
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| Canonical SMILES |
CCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C
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| InChI |
InChI=1S/C13H19NO4/c1-6-17-12(16)10-8(2)9(7-14-10)11(15)18-13(3,4)5/h7,14H,6H2,1-5H3
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| InChIKey |
YUHRKTLXCPHILD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound